5-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2-[2-chloro-5-(propionylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

HCID 10439146

기본 정보

표준 SMILES
CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1F
InChIKey
XVCRTEUSSWQGQZ-UHFFFAOYSA-N
분자식
C32H37ClFN5O4S
평균 분자량
642.2 g/mol

이름 및 식별자

우선 이름
5-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2-[2-chloro-5-(propionylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
IUPAC
N-[3-[3-butyl-4-[[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chlorophenyl]propanamide

이름 및 동의어

SCHEMBL9142300XVCRTEUSSWQGQZ-UHFFFAOYSA-N5-n-butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2-[2-chloro-5-(propionylamino)-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one5-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-2-[2-chloro-5-(propionylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

데이터베이스 식별자

PubChem CID
10439146

물성

구조 계산 물성

XLogP
5.9
극성 표면적
120 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
12
무거운 원자 수
44

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4건

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